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Analysing Fourier Transform Infra Red Spectroscopy data in KNIME
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3
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2171
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June 23, 2023
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Similarity search, bins and murcko scaffolds
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4
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1932
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September 13, 2021
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Identifying endmembers in point data
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2
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1190
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February 18, 2022
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Smarts search in 3D or searching patterns in a sphere
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2
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1189
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February 3, 2022
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Workflow Corruption, KNIME 3.6 & MOE
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14
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2920
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June 23, 2023
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mol2 writer does not encode molecular title
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4
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1714
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May 20, 2021
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Optimizing a workflow analyzing the similarity distance to the nearest neighbour in a compound library.
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8
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1786
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May 5, 2021
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USPTO reaction smiles - yield curation
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1
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1668
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April 23, 2021
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Using crystal structure as template for 3D coordinates for new molecules
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3
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1299
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April 18, 2021
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Drug molecule similarity extraction from ChEMBL
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1
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1011
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April 15, 2021
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¿Como hago une ejecutable (.exe) de un flujo en knime?
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1
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2062
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March 31, 2021
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SMARTS Pattern to exclude fused rings but include bridges rings
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3
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2057
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March 27, 2021
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Cross validation Q2
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3
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1782
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June 23, 2023
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Tanimoto similarity using count-based fingerprints?
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4
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3630
|
June 23, 2023
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General SMARTS Patterns for any ring size
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5
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1835
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February 25, 2021
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3D-e-Chem KRIPO-DB nodes issue
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5
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796
|
February 15, 2021
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Implementation of MTNNGC_ADMET in KNIME
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1
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815
|
February 3, 2021
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Generation of Murcko Scaffolds and additional ring assembly fragmentation
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3
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1294
|
February 3, 2021
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SMARTS pattern to match rings
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3
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1996
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February 3, 2021
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V4.3.0 Changes to file reader node with smiles
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3
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942
|
January 27, 2021
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Online course question
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3
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845
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January 2, 2021
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Altering the structure of a chemical compound
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5
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636
|
May 21, 2021
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Identifying fragments of a multi-fragment structure
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4
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707
|
November 13, 2020
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Extracting data from MedChem patent?
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4
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1592
|
May 3, 2021
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Error using CCG node
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1
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471
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October 28, 2020
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Input data format for Model Acceptability Criteria node
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8
|
1099
|
June 23, 2023
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Error in workflow execution with Padel
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3
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1464
|
September 28, 2020
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Similarity search with user defined coefficients
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4
|
937
|
August 7, 2020
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chemical fingerprints in a regression
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9
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1501
|
January 14, 2021
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Highlight and Label R-group decomposition
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1
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507
|
July 8, 2020
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